General Information of the Compound
| Compound ID |
CP0436967
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| Compound Name |
4-[[3-(3,5-dichlorophenyl)-5-[4-(trifluoromethoxy)phenyl]pyrazol-1-yl]methyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
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| Structure |
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| Formula |
C26H18Cl2F3N7O2
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| Molecular Weight |
588.377
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| Canonical SMILES |
FC(F)(F)Oc1ccc(cc1)-c1cc(nn1Cc1ccc(cc1)C(=O)NCc1nnn[nH]1)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C26H18Cl2F3N7O2/c27-19-9-18(10-20(28)11-19)22-12-23(16-5-7-21(8-6-16)40-26(29,30)31)38(35-22)14-15-1-3-17(4-2-15)25(39)32-13-24-33-36-37-34-24/h1-12H,13-14H2,(H,32,39)(H,33,34,36,37)
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| InChIKey |
NCKNXZMACSRNIH-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02242, Gastric inhibitory polypeptide receptor
Protein ID: PT01473, Glucagon receptor